N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide

C23H24N4O2 — CID 109128294

IUPACN-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3c(C)cccc3C(C)C)nn2)cc1
InChIInChI=1S/C23H24N4O2/c1-14(2)19-7-5-6-15(3)22(19)25-21-13-12-20(26-27-21)23(29)24-18-10-8-17(9-11-18)16(4)28/h5-14H,1-4H3,(H,24,29)(H,25,27)
InChIKeyYTWHZLVCCFBEDS-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.11
Rot. Bonds6

About N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide

N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide (PubChem CID 109128294) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
PubChem CID109128294
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3c(C)cccc3C(C)C)nn2)cc1
InChIInChI=1S/C23H24N4O2/c1-14(2)19-7-5-6-15(3)22(19)25-21-13-12-20(26-27-21)23(29)24-18-10-8-17(9-11-18)16(4)28/h5-14H,1-4H3,(H,24,29)(H,25,27)
InChIKeyYTWHZLVCCFBEDS-UHFFFAOYSA-N
XLogP5.11
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109128126
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127716
methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate
CID 113047064
N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110294
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115064
6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128192

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide (CID 109128294) is N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(Nc3c(C)cccc3C(C)C)nn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide?
The InChIKey is YTWHZLVCCFBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(2)19-7-5-6-15(3)22(19)25-21-13-12-20(26-27-21)23(29)24-18-10-8-17(9-11-18)16(4)28/h5-14H,1-4H3,(H,24,29)(H,25,27).
What are the key properties of N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide?
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).